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CHEBI:211768 - Lyngbyabellin G

ChEBI IDCHEBI:211768
ChEBI NameLyngbyabellin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28Cl2N2O8S2
Net Charge0
Average Mass595.523
Monoisotopic Mass594.06641
SMILESC[C@@H]1C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC[C@@H](O)c2nc(cs2)C(=O)O[C@H]1CCCC(C)(Cl)Cl
InChIInChI=1S/C23H28Cl2N2O8S2/c1-11-15(6-5-7-23(4,24)25)34-21(31)13-10-36-17(26-13)14(28)8-33-20(30)12-9-37-18(27-12)16(22(2,3)32)35-19(11)29/h9-11,14-16,28,32H,5-8H2,1-4H3/t11-,14+,15-,16+/m0/s1
InChIKeyHPCFVGQULNKVOH-BJKJVOPESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - DOI (10.1016/j.tet.2005.09.036)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lyngbyabellin G (CHEBI:211768) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(5R,12S,13S,16S)-12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-13-methyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione
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